2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid
TL;DR: 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid (CAS 94247-98-0) is a chemical compound with molecular formula C27H41N3O4S2 and molecular weight 535.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid
Also Known As: 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid, 2-(3-Heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)benzothiazolesulfonic acid, 2-(3-Heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)benzothiazolesulphonic acid
| Molecular Formula | C27H41N3O4S2 |
|---|---|
| Molecular Weight | 535.25 g/mol |
| LogP | 7.8972 |
| Topological Polar Surface Area | 99.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 535.25385 |
| Heavy Atoms | 36 |
| Complexity | 1111.4167 |
Chemical Identifiers
| CAS Number | 94247-98-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=NC3=C(S2)C=CC=C3S(=O)(=O)O |
Product Overview
2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid (CAS 94247-98-0), with molecular formula C27H41N3O4S2 and molecular weight 535.25 g/mol. IUPAC: 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid.
Chemical Property Profile of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid
Property Insights of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid
The XLogP value of 7.8972 indicates that 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid. Following Lipinski's Rule of Five, 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid?
The CAS number of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid is 94247-98-0.
What is the molecular formula of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid?
The molecular formula of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid is C27H41N3O4S2.
What is the molecular weight of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid?
The molecular weight of 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid is 535.25 g/mol.
Where can I buy 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid?
You can request a quote for 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-4-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.